2-(Cyano-methyl-methyl)-benzoic acid | 28310-25-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(Cyano-methyl-methyl)-benzoic acid
• 英文别名: 2-(1-Cyanoethyl)benzoic acid；2-(1-cyanoethyl)benzoic acid
• CAS: 28310-25-0
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: NXUMGLCUOOELBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them
  申请人：Allegretti Marcello

  公开号：US20080312293A1

  公开（公告）日：2008-12-18

  The present invention relates to selected (R)-2-phenyl-propionamides and (R)-2-phenyl-sulfonamides with a hydrogen bond acceptor atom/group in a well defined position in the chemical space. These compounds show a surprising potent inhibitory effect on C5a induced human PMN chemotaxis. The compounds of the invention absolutely lack of CXCL8 inhibitory activity. Said compounds are useful in the treatment of pathologies depending on the chemotactic activation of neutrophils and monocytes induced by the fraction C5a of the complement. In particular, the compounds of the invention are useful in the treatment of sepsis, psoriasis, rheumatoid arthritis, ulcerative colitis, acute respiratory distress syndrome, idiopathic fibrosis, glomerulonephritis and in the prevention and treatment of injury caused by ischemia and reperfusion.

  本发明涉及在化学空间中具有氢键受体原子/基团的选定（R）-2-苯基-丙酰胺和（R）-2-苯基-磺酰胺。这些化合物表现出惊人的强烈抑制C5a诱导的人类PMN趋化性的效果。本发明的化合物绝对缺乏CXCL8抑制活性。所述化合物在治疗与补体C5a诱导的中性粒细胞和单核细胞趋化活化有关的病理过程中有用。特别是，在治疗败血症、牛皮癣、类风湿性关节炎、溃疡性结肠炎、急性呼吸窘迫综合征、特发性纤维化、肾小球肾炎以及缺血再灌注损伤的预防和治疗方面，本发明的化合物非常有用。
• PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0625978A1

  公开（公告）日：1994-11-30
• 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：DOMPE' pha.r.ma S.p.A.

  公开号：EP1856031A1

  公开（公告）日：2007-11-21
• US7939521B2
  申请人：——

  公开号：US7939521B2

  公开（公告）日：2011-05-10
• [EN] PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：WO1993016073A1

  公开（公告）日：1993-08-19

  (EN) The present invention relates to a group of piperazine and piperidine derivatives, to processes for their preparation, to pharmaceutical compositions containing them and to their use in therapy, in particular in the treatment of psychotic disorders.(FR) La présente invention concerne un groupe de dérivés de pipérazine et de pipéridine, leurs procédés de préparation, des compositions pharmaceutiques les contenant et leur utilisation thérapeutique, notamment dans le traitement des maladies psychotiques.